9P-969
TL;DR: 9P-969 (CAS 677749-65-4) is a chemical compound with molecular formula C33H25ClFN3S and molecular weight 549.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidin-2-yl]sulfanylmethyl]benzonitrile
Also Known As: 9P-969, 3-({[5-(4-chlorophenyl)-4-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-2-pyrimidinyl]sulfanyl}methyl)benzenecarbonitrile, 3-({[5-(4-chlorophenyl)-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidin-2-yl]sulfanyl}methyl)benzonitrile, 3-[[5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidin-2-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C33H25ClFN3S |
|---|---|
| Molecular Weight | 549.14 g/mol |
| LogP | 9.38658 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.14417 |
| Heavy Atoms | 39 |
| Complexity | 1644.0342 |
Chemical Identifiers
| CAS Number | 677749-65-4 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3C4=CC=C(C=C4)Cl)SCC5=CC(=CC=C5)C#N)F |
Product Overview
9P-969 (CAS 677749-65-4), with molecular formula C33H25ClFN3S and molecular weight 549.14 g/mol. IUPAC: 3-[[5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidin-2-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of 9P-969
Property Insights of 9P-969
The XLogP value of 9.38658 indicates that 9P-969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 9P-969 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9P-969 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9P-969?
The CAS number of 9P-969 is 677749-65-4.
What is the molecular formula of 9P-969?
The molecular formula of 9P-969 is C33H25ClFN3S.
What is the molecular weight of 9P-969?
The molecular weight of 9P-969 is 549.14 g/mol.
Where can I buy 9P-969?
You can request a quote for 9P-969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-969?
Yes, KEHONG BIO provides custom synthesis services for 9P-969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.